5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one

C18H21N5O2S — CID 56716529

IUPAC5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCc1n[nH]c2c1CN(C(=O)C1=C(C)NC(=O)NC1c1cccs1)CC2
InChIInChI=1S/C18H21N5O2S/c1-3-12-11-9-23(7-6-13(11)22-21-12)17(24)15-10(2)19-18(25)20-16(15)14-5-4-8-26-14/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,21,22)(H2,19,20,25)
InChIKeyVMVOXEAQBQTJEL-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.25
Rot. Bonds3

About 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one

5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 56716529) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID56716529
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCc1n[nH]c2c1CN(C(=O)C1=C(C)NC(=O)NC1c1cccs1)CC2
InChIInChI=1S/C18H21N5O2S/c1-3-12-11-9-23(7-6-13(11)22-21-12)17(24)15-10(2)19-18(25)20-16(15)14-5-4-8-26-14/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,21,22)(H2,19,20,25)
InChIKeyVMVOXEAQBQTJEL-UHFFFAOYSA-N
XLogP2.25
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one with MolForge

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Related Compounds

(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone
CID 39755711
5-[3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 70739520
(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 72869094
6-[4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)phenyl]-2-methylpyridazin-3-one
CID 122566176
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 39781741
tert-butyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2908809
[4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 31134478
[3-[6-(ethylamino)pyridazin-3-yl]phenyl]-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 122570445
(4R)-N-(3-imidazol-1-ylpropyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95213208
(4R)-6-methyl-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 136821254
N-(3,4-dimethylphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3143200
3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 118761559

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one (CID 56716529) is 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one is CCc1n[nH]c2c1CN(C(=O)C1=C(C)NC(=O)NC1c1cccs1)CC2.
What is the InChIKey of 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is VMVOXEAQBQTJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-3-12-11-9-23(7-6-13(11)22-21-12)17(24)15-10(2)19-18(25)20-16(15)14-5-4-8-26-14/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,21,22)(H2,19,20,25).
What are the key properties of 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 371.47 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-6-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 56716529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).